USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 470 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 465 HIS HE2 : A 465 HIS NE2 : A 502 ZNZN :(H bumps) USER MOD NoAdj-H: A 473 HIS HD1 : A 473 HIS ND1 : A 502 ZNZN :(H bumps) USER MOD Single : A 429 TYR OH : rot 180:sc= 0 USER MOD Single : A 433 SER OG : rot 140:sc= 0 USER MOD Single : A 436 HIS : no HD1:sc= 0.0888 K(o=0.089,f=-3.1!) USER MOD Single : A 439 SER OG : rot 180:sc=-7.2e-05 USER MOD Single : A 440 SER OG : rot 61:sc= 0.637 USER MOD Single : A 441 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 450 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 454 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 455 TYR OH : rot 180:sc= 0.191 USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 462 HIS : no HD1:sc= -0.04 X(o=-0.04,f=-0.044) USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 467 MET CE :methyl 165:sc= -0.0178 (180deg=-0.298) USER MOD Single : A 472 HIS : no HD1:sc= -0.296 K(o=-0.3,f=-2.4!) USER MOD Single : A 474 SER OG : rot 180:sc= -0.0363 USER MOD Single : A 477 MET CE :methyl 165:sc= -0.0306 (180deg=-0.349) USER MOD Single : A 479 ASN : amide:sc= 0.658 K(o=0.66,f=-5.5!) USER MOD Single : A 480 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 481 LYS NZ :NH3+ 180:sc= 1.1 (180deg=1.1) USER MOD Single : A 482 ASN : amide:sc= -0.0896 K(o=-0.09,f=-1.4) USER MOD Single : A 485 SER OG : rot 180:sc= 0 USER MOD Single : A 486 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 426 10.365 -28.062 8.468 1.00 0.00 N ATOM 2 CA ILE A 426 10.498 -27.511 7.104 1.00 0.00 C ATOM 3 C ILE A 426 11.209 -26.159 7.148 1.00 0.00 C ATOM 4 O ILE A 426 11.143 -25.462 8.161 1.00 0.00 O ATOM 5 CB ILE A 426 9.125 -27.420 6.416 1.00 0.00 C ATOM 6 CG1 ILE A 426 9.239 -27.056 4.930 1.00 0.00 C ATOM 7 CG2 ILE A 426 8.224 -26.390 7.107 1.00 0.00 C ATOM 8 CD1 ILE A 426 10.087 -28.076 4.169 1.00 0.00 C ATOM 0 HA ILE A 426 11.110 -28.186 6.506 1.00 0.00 H new ATOM 0 HB ILE A 426 8.682 -28.413 6.499 1.00 0.00 H new ATOM 0 HG12 ILE A 426 8.244 -27.007 4.489 1.00 0.00 H new ATOM 0 HG13 ILE A 426 9.682 -26.065 4.830 1.00 0.00 H new ATOM 0 HG21 ILE A 426 7.261 -26.349 6.598 1.00 0.00 H new ATOM 0 HG22 ILE A 426 8.072 -26.679 8.147 1.00 0.00 H new ATOM 0 HG23 ILE A 426 8.697 -25.409 7.068 1.00 0.00 H new ATOM 0 HD11 ILE A 426 10.147 -27.788 3.119 1.00 0.00 H new ATOM 0 HD12 ILE A 426 11.090 -28.106 4.595 1.00 0.00 H new ATOM 0 HD13 ILE A 426 9.629 -29.062 4.249 1.00 0.00 H new ATOM 22 N ASP A 427 11.890 -25.787 6.061 1.00 0.00 N ATOM 23 CA ASP A 427 12.604 -24.524 5.967 1.00 0.00 C ATOM 24 C ASP A 427 11.625 -23.350 5.835 1.00 0.00 C ATOM 25 O ASP A 427 10.515 -23.532 5.339 1.00 0.00 O ATOM 26 CB ASP A 427 13.555 -24.573 4.768 1.00 0.00 C ATOM 27 CG ASP A 427 14.616 -25.658 4.946 1.00 0.00 C ATOM 28 OD1 ASP A 427 15.625 -25.378 5.625 1.00 0.00 O ATOM 29 OD2 ASP A 427 14.399 -26.762 4.400 1.00 0.00 O ATOM 0 H ASP A 427 11.958 -26.361 5.220 1.00 0.00 H new ATOM 0 HA ASP A 427 13.180 -24.370 6.879 1.00 0.00 H new ATOM 0 HB2 ASP A 427 12.987 -24.763 3.858 1.00 0.00 H new ATOM 0 HB3 ASP A 427 14.039 -23.604 4.645 1.00 0.00 H new ATOM 34 N PRO A 428 12.022 -22.151 6.276 1.00 0.00 N ATOM 35 CA PRO A 428 11.210 -20.948 6.177 1.00 0.00 C ATOM 36 C PRO A 428 11.143 -20.454 4.732 1.00 0.00 C ATOM 37 O PRO A 428 11.947 -20.850 3.888 1.00 0.00 O ATOM 38 CB PRO A 428 11.899 -19.932 7.088 1.00 0.00 C ATOM 39 CG PRO A 428 13.367 -20.335 6.984 1.00 0.00 C ATOM 40 CD PRO A 428 13.291 -21.861 6.914 1.00 0.00 C ATOM 0 HA PRO A 428 10.177 -21.120 6.478 1.00 0.00 H new ATOM 0 HB2 PRO A 428 11.735 -18.908 6.751 1.00 0.00 H new ATOM 0 HB3 PRO A 428 11.533 -19.993 8.113 1.00 0.00 H new ATOM 0 HG2 PRO A 428 13.842 -19.912 6.099 1.00 0.00 H new ATOM 0 HG3 PRO A 428 13.942 -19.997 7.846 1.00 0.00 H new ATOM 0 HD2 PRO A 428 14.122 -22.270 6.340 1.00 0.00 H new ATOM 0 HD3 PRO A 428 13.342 -22.304 7.909 1.00 0.00 H new ATOM 48 N TYR A 429 10.175 -19.576 4.454 1.00 0.00 N ATOM 49 CA TYR A 429 9.974 -18.995 3.132 1.00 0.00 C ATOM 50 C TYR A 429 9.851 -17.475 3.212 1.00 0.00 C ATOM 51 O TYR A 429 9.462 -16.836 2.237 1.00 0.00 O ATOM 52 CB TYR A 429 8.744 -19.617 2.469 1.00 0.00 C ATOM 53 CG TYR A 429 8.835 -21.120 2.309 1.00 0.00 C ATOM 54 CD1 TYR A 429 9.633 -21.669 1.294 1.00 0.00 C ATOM 55 CD2 TYR A 429 8.120 -21.964 3.181 1.00 0.00 C ATOM 56 CE1 TYR A 429 9.721 -23.062 1.142 1.00 0.00 C ATOM 57 CE2 TYR A 429 8.207 -23.356 3.032 1.00 0.00 C ATOM 58 CZ TYR A 429 9.004 -23.910 2.011 1.00 0.00 C ATOM 59 OH TYR A 429 9.082 -25.262 1.866 1.00 0.00 O ATOM 0 H TYR A 429 9.505 -19.248 5.150 1.00 0.00 H new ATOM 0 HA TYR A 429 10.847 -19.217 2.518 1.00 0.00 H new ATOM 0 HB2 TYR A 429 7.862 -19.376 3.062 1.00 0.00 H new ATOM 0 HB3 TYR A 429 8.602 -19.164 1.488 1.00 0.00 H new ATOM 0 HD1 TYR A 429 10.181 -21.019 0.628 1.00 0.00 H new ATOM 0 HD2 TYR A 429 7.506 -21.540 3.962 1.00 0.00 H new ATOM 0 HE1 TYR A 429 10.337 -23.483 0.361 1.00 0.00 H new ATOM 0 HE2 TYR A 429 7.662 -24.005 3.702 1.00 0.00 H new ATOM 0 HH TYR A 429 8.528 -25.697 2.547 1.00 0.00 H new ATOM 69 N LEU A 430 10.178 -16.893 4.370 1.00 0.00 N ATOM 70 CA LEU A 430 10.098 -15.452 4.576 1.00 0.00 C ATOM 71 C LEU A 430 11.301 -14.756 3.946 1.00 0.00 C ATOM 72 O LEU A 430 12.309 -15.393 3.634 1.00 0.00 O ATOM 73 CB LEU A 430 10.004 -15.133 6.075 1.00 0.00 C ATOM 74 CG LEU A 430 8.602 -15.368 6.652 1.00 0.00 C ATOM 75 CD1 LEU A 430 8.185 -16.838 6.627 1.00 0.00 C ATOM 76 CD2 LEU A 430 8.583 -14.898 8.103 1.00 0.00 C ATOM 0 H LEU A 430 10.504 -17.410 5.186 1.00 0.00 H new ATOM 0 HA LEU A 430 9.197 -15.078 4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 430 10.722 -15.748 6.617 1.00 0.00 H new ATOM 0 HB3 LEU A 430 10.288 -14.093 6.238 1.00 0.00 H new ATOM 0 HG LEU A 430 7.902 -14.810 6.030 1.00 0.00 H new ATOM 0 HD11 LEU A 430 7.185 -16.940 7.048 1.00 0.00 H new ATOM 0 HD12 LEU A 430 8.184 -17.199 5.598 1.00 0.00 H new ATOM 0 HD13 LEU A 430 8.888 -17.426 7.217 1.00 0.00 H new ATOM 0 HD21 LEU A 430 7.591 -15.060 8.525 1.00 0.00 H new ATOM 0 HD22 LEU A 430 9.318 -15.462 8.678 1.00 0.00 H new ATOM 0 HD23 LEU A 430 8.826 -13.836 8.145 1.00 0.00 H new ATOM 88 N GLU A 431 11.195 -13.437 3.755 1.00 0.00 N ATOM 89 CA GLU A 431 12.237 -12.616 3.151 1.00 0.00 C ATOM 90 C GLU A 431 12.345 -11.289 3.893 1.00 0.00 C ATOM 91 O GLU A 431 11.491 -10.954 4.717 1.00 0.00 O ATOM 92 CB GLU A 431 11.904 -12.359 1.677 1.00 0.00 C ATOM 93 CG GLU A 431 11.914 -13.643 0.851 1.00 0.00 C ATOM 94 CD GLU A 431 11.628 -13.344 -0.620 1.00 0.00 C ATOM 95 OE1 GLU A 431 12.481 -12.688 -1.253 1.00 0.00 O ATOM 96 OE2 GLU A 431 10.553 -13.773 -1.098 1.00 0.00 O ATOM 0 H GLU A 431 10.366 -12.905 4.022 1.00 0.00 H new ATOM 0 HA GLU A 431 13.190 -13.141 3.218 1.00 0.00 H new ATOM 0 HB2 GLU A 431 10.923 -11.890 1.604 1.00 0.00 H new ATOM 0 HB3 GLU A 431 12.625 -11.656 1.261 1.00 0.00 H new ATOM 0 HG2 GLU A 431 12.883 -14.134 0.945 1.00 0.00 H new ATOM 0 HG3 GLU A 431 11.167 -14.336 1.238 1.00 0.00 H new ATOM 103 N ASP A 432 13.399 -10.521 3.598 1.00 0.00 N ATOM 104 CA ASP A 432 13.593 -9.200 4.184 1.00 0.00 C ATOM 105 C ASP A 432 12.558 -8.210 3.637 1.00 0.00 C ATOM 106 O ASP A 432 12.458 -7.081 4.109 1.00 0.00 O ATOM 107 CB ASP A 432 15.023 -8.741 3.889 1.00 0.00 C ATOM 108 CG ASP A 432 15.360 -7.430 4.598 1.00 0.00 C ATOM 109 OD1 ASP A 432 15.282 -7.418 5.848 1.00 0.00 O ATOM 110 OD2 ASP A 432 15.687 -6.456 3.885 1.00 0.00 O ATOM 0 H ASP A 432 14.135 -10.800 2.949 1.00 0.00 H new ATOM 0 HA ASP A 432 13.450 -9.245 5.264 1.00 0.00 H new ATOM 0 HB2 ASP A 432 15.724 -9.514 4.203 1.00 0.00 H new ATOM 0 HB3 ASP A 432 15.149 -8.615 2.814 1.00 0.00 H new ATOM 115 N SER A 433 11.781 -8.639 2.637 1.00 0.00 N ATOM 116 CA SER A 433 10.725 -7.848 2.025 1.00 0.00 C ATOM 117 C SER A 433 9.389 -8.056 2.739 1.00 0.00 C ATOM 118 O SER A 433 8.335 -7.837 2.146 1.00 0.00 O ATOM 119 CB SER A 433 10.634 -8.189 0.537 1.00 0.00 C ATOM 120 OG SER A 433 10.316 -9.555 0.373 1.00 0.00 O ATOM 0 H SER A 433 11.876 -9.568 2.226 1.00 0.00 H new ATOM 0 HA SER A 433 10.968 -6.790 2.125 1.00 0.00 H new ATOM 0 HB2 SER A 433 9.874 -7.570 0.060 1.00 0.00 H new ATOM 0 HB3 SER A 433 11.581 -7.966 0.046 1.00 0.00 H new ATOM 0 HG SER A 433 9.676 -9.656 -0.362 1.00 0.00 H new ATOM 126 N LEU A 434 9.423 -8.481 4.004 1.00 0.00 N ATOM 127 CA LEU A 434 8.229 -8.674 4.805 1.00 0.00 C ATOM 128 C LEU A 434 7.388 -7.402 4.815 1.00 0.00 C ATOM 129 O LEU A 434 7.934 -6.303 4.756 1.00 0.00 O ATOM 130 CB LEU A 434 8.658 -9.041 6.230 1.00 0.00 C ATOM 131 CG LEU A 434 7.899 -10.258 6.762 1.00 0.00 C ATOM 132 CD1 LEU A 434 8.216 -11.528 5.977 1.00 0.00 C ATOM 133 CD2 LEU A 434 8.310 -10.495 8.210 1.00 0.00 C ATOM 0 H LEU A 434 10.289 -8.700 4.497 1.00 0.00 H new ATOM 0 HA LEU A 434 7.622 -9.475 4.382 1.00 0.00 H new ATOM 0 HB2 LEU A 434 9.728 -9.247 6.245 1.00 0.00 H new ATOM 0 HB3 LEU A 434 8.488 -8.191 6.890 1.00 0.00 H new ATOM 0 HG LEU A 434 6.834 -10.048 6.665 1.00 0.00 H new ATOM 0 HD11 LEU A 434 7.653 -12.363 6.393 1.00 0.00 H new ATOM 0 HD12 LEU A 434 7.939 -11.389 4.932 1.00 0.00 H new ATOM 0 HD13 LEU A 434 9.283 -11.741 6.044 1.00 0.00 H new ATOM 0 HD21 LEU A 434 7.776 -11.360 8.603 1.00 0.00 H new ATOM 0 HD22 LEU A 434 9.383 -10.678 8.258 1.00 0.00 H new ATOM 0 HD23 LEU A 434 8.065 -9.616 8.806 1.00 0.00 H new ATOM 145 N CYS A 435 6.064 -7.552 4.890 1.00 0.00 N ATOM 146 CA CYS A 435 5.160 -6.414 4.967 1.00 0.00 C ATOM 147 C CYS A 435 5.585 -5.534 6.140 1.00 0.00 C ATOM 148 O CYS A 435 5.780 -6.027 7.252 1.00 0.00 O ATOM 149 CB CYS A 435 3.728 -6.938 5.129 1.00 0.00 C ATOM 150 SG CYS A 435 2.587 -5.561 5.375 1.00 0.00 S ATOM 0 H CYS A 435 5.597 -8.459 4.899 1.00 0.00 H new ATOM 0 HA CYS A 435 5.198 -5.810 4.061 1.00 0.00 H new ATOM 0 HB2 CYS A 435 3.439 -7.507 4.245 1.00 0.00 H new ATOM 0 HB3 CYS A 435 3.676 -7.620 5.978 1.00 0.00 H new ATOM 155 N HIS A 436 5.733 -4.226 5.906 1.00 0.00 N ATOM 156 CA HIS A 436 6.210 -3.306 6.930 1.00 0.00 C ATOM 157 C HIS A 436 5.110 -2.898 7.910 1.00 0.00 C ATOM 158 O HIS A 436 5.362 -2.104 8.816 1.00 0.00 O ATOM 159 CB HIS A 436 6.870 -2.089 6.272 1.00 0.00 C ATOM 160 CG HIS A 436 8.239 -2.394 5.727 1.00 0.00 C ATOM 161 ND1 HIS A 436 8.519 -2.969 4.486 1.00 0.00 N ATOM 162 CD2 HIS A 436 9.414 -2.154 6.380 1.00 0.00 C ATOM 163 CE1 HIS A 436 9.858 -3.062 4.425 1.00 0.00 C ATOM 164 NE2 HIS A 436 10.421 -2.579 5.546 1.00 0.00 N ATOM 0 H HIS A 436 5.527 -3.784 5.010 1.00 0.00 H new ATOM 0 HA HIS A 436 6.959 -3.827 7.526 1.00 0.00 H new ATOM 0 HB2 HIS A 436 6.234 -1.729 5.464 1.00 0.00 H new ATOM 0 HB3 HIS A 436 6.945 -1.283 7.002 1.00 0.00 H new ATOM 0 HD2 HIS A 436 9.530 -1.716 7.360 1.00 0.00 H new ATOM 0 HE1 HIS A 436 10.407 -3.469 3.589 1.00 0.00 H new ATOM 0 HE2 HIS A 436 11.421 -2.535 5.743 1.00 0.00 H new ATOM 172 N ILE A 437 3.898 -3.433 7.740 1.00 0.00 N ATOM 173 CA ILE A 437 2.773 -3.134 8.619 1.00 0.00 C ATOM 174 C ILE A 437 2.190 -4.421 9.202 1.00 0.00 C ATOM 175 O ILE A 437 1.566 -4.388 10.260 1.00 0.00 O ATOM 176 CB ILE A 437 1.702 -2.374 7.827 1.00 0.00 C ATOM 177 CG1 ILE A 437 2.270 -1.109 7.165 1.00 0.00 C ATOM 178 CG2 ILE A 437 0.518 -2.001 8.722 1.00 0.00 C ATOM 179 CD1 ILE A 437 2.705 -0.048 8.173 1.00 0.00 C ATOM 0 H ILE A 437 3.673 -4.085 6.988 1.00 0.00 H new ATOM 0 HA ILE A 437 3.119 -2.515 9.447 1.00 0.00 H new ATOM 0 HB ILE A 437 1.357 -3.045 7.040 1.00 0.00 H new ATOM 0 HG12 ILE A 437 3.123 -1.383 6.544 1.00 0.00 H new ATOM 0 HG13 ILE A 437 1.517 -0.684 6.502 1.00 0.00 H new ATOM 0 HG21 ILE A 437 -0.226 -1.463 8.135 1.00 0.00 H new ATOM 0 HG22 ILE A 437 0.072 -2.907 9.131 1.00 0.00 H new ATOM 0 HG23 ILE A 437 0.864 -1.367 9.538 1.00 0.00 H new ATOM 0 HD11 ILE A 437 3.097 0.820 7.642 1.00 0.00 H new ATOM 0 HD12 ILE A 437 1.849 0.252 8.777 1.00 0.00 H new ATOM 0 HD13 ILE A 437 3.480 -0.457 8.820 1.00 0.00 H new ATOM 191 N CYS A 438 2.395 -5.550 8.519 1.00 0.00 N ATOM 192 CA CYS A 438 1.791 -6.816 8.899 1.00 0.00 C ATOM 193 C CYS A 438 2.857 -7.868 9.225 1.00 0.00 C ATOM 194 O CYS A 438 2.603 -8.767 10.024 1.00 0.00 O ATOM 195 CB CYS A 438 0.895 -7.278 7.749 1.00 0.00 C ATOM 196 SG CYS A 438 -0.154 -5.904 7.196 1.00 0.00 S ATOM 0 H CYS A 438 2.985 -5.605 7.689 1.00 0.00 H new ATOM 0 HA CYS A 438 1.198 -6.683 9.804 1.00 0.00 H new ATOM 0 HB2 CYS A 438 1.507 -7.637 6.921 1.00 0.00 H new ATOM 0 HB3 CYS A 438 0.275 -8.114 8.072 1.00 0.00 H new ATOM 201 N SER A 439 4.037 -7.746 8.603 1.00 0.00 N ATOM 202 CA SER A 439 5.202 -8.605 8.807 1.00 0.00 C ATOM 203 C SER A 439 4.872 -10.083 9.009 1.00 0.00 C ATOM 204 O SER A 439 5.511 -10.751 9.819 1.00 0.00 O ATOM 205 CB SER A 439 6.107 -8.044 9.910 1.00 0.00 C ATOM 206 OG SER A 439 5.354 -7.683 11.051 1.00 0.00 O ATOM 0 H SER A 439 4.209 -7.013 7.915 1.00 0.00 H new ATOM 0 HA SER A 439 5.758 -8.587 7.870 1.00 0.00 H new ATOM 0 HB2 SER A 439 6.855 -8.788 10.184 1.00 0.00 H new ATOM 0 HB3 SER A 439 6.645 -7.174 9.535 1.00 0.00 H new ATOM 0 HG SER A 439 5.954 -7.330 11.741 1.00 0.00 H new ATOM 212 N SER A 440 3.879 -10.606 8.283 1.00 0.00 N ATOM 213 CA SER A 440 3.502 -12.010 8.364 1.00 0.00 C ATOM 214 C SER A 440 3.870 -12.772 7.090 1.00 0.00 C ATOM 215 O SER A 440 3.820 -14.001 7.074 1.00 0.00 O ATOM 216 CB SER A 440 1.998 -12.095 8.619 1.00 0.00 C ATOM 217 OG SER A 440 1.687 -11.555 9.886 1.00 0.00 O ATOM 0 H SER A 440 3.318 -10.064 7.625 1.00 0.00 H new ATOM 0 HA SER A 440 4.052 -12.475 9.182 1.00 0.00 H new ATOM 0 HB2 SER A 440 1.459 -11.553 7.842 1.00 0.00 H new ATOM 0 HB3 SER A 440 1.671 -13.134 8.568 1.00 0.00 H new ATOM 0 HG SER A 440 1.952 -10.612 9.914 1.00 0.00 H new ATOM 223 N GLN A 441 4.240 -12.050 6.028 1.00 0.00 N ATOM 224 CA GLN A 441 4.652 -12.651 4.771 1.00 0.00 C ATOM 225 C GLN A 441 5.464 -11.650 3.957 1.00 0.00 C ATOM 226 O GLN A 441 5.396 -10.449 4.223 1.00 0.00 O ATOM 227 CB GLN A 441 3.423 -13.064 3.953 1.00 0.00 C ATOM 228 CG GLN A 441 2.459 -11.891 3.739 1.00 0.00 C ATOM 229 CD GLN A 441 1.255 -12.322 2.912 1.00 0.00 C ATOM 230 OE1 GLN A 441 1.154 -11.999 1.732 1.00 0.00 O ATOM 231 NE2 GLN A 441 0.330 -13.059 3.522 1.00 0.00 N ATOM 0 H GLN A 441 4.260 -11.030 6.023 1.00 0.00 H new ATOM 0 HA GLN A 441 5.258 -13.529 4.993 1.00 0.00 H new ATOM 0 HB2 GLN A 441 3.744 -13.451 2.986 1.00 0.00 H new ATOM 0 HB3 GLN A 441 2.902 -13.874 4.464 1.00 0.00 H new ATOM 0 HG2 GLN A 441 2.125 -11.509 4.704 1.00 0.00 H new ATOM 0 HG3 GLN A 441 2.978 -11.075 3.236 1.00 0.00 H new ATOM 0 HE21 GLN A 441 0.444 -13.310 4.504 1.00 0.00 H new ATOM 0 HE22 GLN A 441 -0.493 -13.373 3.008 1.00 0.00 H new ATOM 240 N PRO A 442 6.226 -12.126 2.965 1.00 0.00 N ATOM 241 CA PRO A 442 6.866 -11.278 1.983 1.00 0.00 C ATOM 242 C PRO A 442 5.781 -10.476 1.268 1.00 0.00 C ATOM 243 O PRO A 442 5.020 -11.025 0.474 1.00 0.00 O ATOM 244 CB PRO A 442 7.598 -12.231 1.026 1.00 0.00 C ATOM 245 CG PRO A 442 7.778 -13.503 1.848 1.00 0.00 C ATOM 246 CD PRO A 442 6.518 -13.523 2.714 1.00 0.00 C ATOM 0 HA PRO A 442 7.572 -10.567 2.413 1.00 0.00 H new ATOM 0 HB2 PRO A 442 7.016 -12.417 0.123 1.00 0.00 H new ATOM 0 HB3 PRO A 442 8.557 -11.821 0.708 1.00 0.00 H new ATOM 0 HG2 PRO A 442 7.849 -14.388 1.215 1.00 0.00 H new ATOM 0 HG3 PRO A 442 8.685 -13.470 2.452 1.00 0.00 H new ATOM 0 HD2 PRO A 442 5.692 -14.015 2.201 1.00 0.00 H new ATOM 0 HD3 PRO A 442 6.684 -14.067 3.644 1.00 0.00 H new ATOM 254 N GLY A 443 5.713 -9.178 1.556 1.00 0.00 N ATOM 255 CA GLY A 443 4.697 -8.302 0.998 1.00 0.00 C ATOM 256 C GLY A 443 4.653 -8.405 -0.527 1.00 0.00 C ATOM 257 O GLY A 443 5.665 -8.172 -1.186 1.00 0.00 O ATOM 0 H GLY A 443 6.364 -8.708 2.185 1.00 0.00 H new ATOM 0 HA2 GLY A 443 3.722 -8.562 1.411 1.00 0.00 H new ATOM 0 HA3 GLY A 443 4.902 -7.272 1.290 1.00 0.00 H new ATOM 261 N PRO A 444 3.491 -8.752 -1.096 1.00 0.00 N ATOM 262 CA PRO A 444 3.304 -8.909 -2.528 1.00 0.00 C ATOM 263 C PRO A 444 3.234 -7.566 -3.251 1.00 0.00 C ATOM 264 O PRO A 444 3.220 -7.547 -4.482 1.00 0.00 O ATOM 265 CB PRO A 444 1.981 -9.664 -2.661 1.00 0.00 C ATOM 266 CG PRO A 444 1.189 -9.151 -1.463 1.00 0.00 C ATOM 267 CD PRO A 444 2.262 -9.047 -0.388 1.00 0.00 C ATOM 0 HA PRO A 444 4.141 -9.438 -2.983 1.00 0.00 H new ATOM 0 HB2 PRO A 444 1.480 -9.443 -3.604 1.00 0.00 H new ATOM 0 HB3 PRO A 444 2.124 -10.744 -2.621 1.00 0.00 H new ATOM 0 HG2 PRO A 444 0.722 -8.187 -1.666 1.00 0.00 H new ATOM 0 HG3 PRO A 444 0.392 -9.838 -1.178 1.00 0.00 H new ATOM 0 HD2 PRO A 444 2.024 -8.262 0.329 1.00 0.00 H new ATOM 0 HD3 PRO A 444 2.346 -9.977 0.174 1.00 0.00 H new ATOM 275 N PHE A 445 3.185 -6.450 -2.516 1.00 0.00 N ATOM 276 CA PHE A 445 3.093 -5.127 -3.117 1.00 0.00 C ATOM 277 C PHE A 445 4.194 -4.191 -2.626 1.00 0.00 C ATOM 278 O PHE A 445 4.645 -4.291 -1.485 1.00 0.00 O ATOM 279 CB PHE A 445 1.714 -4.534 -2.835 1.00 0.00 C ATOM 280 CG PHE A 445 0.559 -5.382 -3.314 1.00 0.00 C ATOM 281 CD1 PHE A 445 0.403 -5.655 -4.681 1.00 0.00 C ATOM 282 CD2 PHE A 445 -0.361 -5.902 -2.389 1.00 0.00 C ATOM 283 CE1 PHE A 445 -0.669 -6.442 -5.125 1.00 0.00 C ATOM 284 CE2 PHE A 445 -1.432 -6.692 -2.834 1.00 0.00 C ATOM 285 CZ PHE A 445 -1.586 -6.963 -4.201 1.00 0.00 C ATOM 0 H PHE A 445 3.208 -6.444 -1.496 1.00 0.00 H new ATOM 0 HA PHE A 445 3.231 -5.236 -4.193 1.00 0.00 H new ATOM 0 HB2 PHE A 445 1.612 -4.377 -1.761 1.00 0.00 H new ATOM 0 HB3 PHE A 445 1.650 -3.554 -3.308 1.00 0.00 H new ATOM 0 HD1 PHE A 445 1.111 -5.258 -5.394 1.00 0.00 H new ATOM 0 HD2 PHE A 445 -0.244 -5.694 -1.336 1.00 0.00 H new ATOM 0 HE1 PHE A 445 -0.788 -6.647 -6.179 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -2.139 -7.092 -2.122 1.00 0.00 H new ATOM 0 HZ PHE A 445 -2.410 -7.572 -4.542 1.00 0.00 H new ATOM 295 N PHE A 446 4.619 -3.279 -3.505 1.00 0.00 N ATOM 296 CA PHE A 446 5.629 -2.273 -3.218 1.00 0.00 C ATOM 297 C PHE A 446 5.426 -1.066 -4.141 1.00 0.00 C ATOM 298 O PHE A 446 4.913 -1.220 -5.250 1.00 0.00 O ATOM 299 CB PHE A 446 7.007 -2.906 -3.440 1.00 0.00 C ATOM 300 CG PHE A 446 8.193 -2.013 -3.161 1.00 0.00 C ATOM 301 CD1 PHE A 446 8.754 -1.967 -1.875 1.00 0.00 C ATOM 302 CD2 PHE A 446 8.748 -1.234 -4.188 1.00 0.00 C ATOM 303 CE1 PHE A 446 9.866 -1.154 -1.620 1.00 0.00 C ATOM 304 CE2 PHE A 446 9.866 -0.428 -3.937 1.00 0.00 C ATOM 305 CZ PHE A 446 10.423 -0.385 -2.651 1.00 0.00 C ATOM 0 H PHE A 446 4.258 -3.224 -4.457 1.00 0.00 H new ATOM 0 HA PHE A 446 5.550 -1.927 -2.188 1.00 0.00 H new ATOM 0 HB2 PHE A 446 7.086 -3.791 -2.808 1.00 0.00 H new ATOM 0 HB3 PHE A 446 7.067 -3.246 -4.474 1.00 0.00 H new ATOM 0 HD1 PHE A 446 8.327 -2.560 -1.080 1.00 0.00 H new ATOM 0 HD2 PHE A 446 8.312 -1.256 -5.176 1.00 0.00 H new ATOM 0 HE1 PHE A 446 10.294 -1.120 -0.629 1.00 0.00 H new ATOM 0 HE2 PHE A 446 10.298 0.160 -4.733 1.00 0.00 H new ATOM 0 HZ PHE A 446 11.281 0.241 -2.455 1.00 0.00 H new ATOM 315 N CYS A 447 5.827 0.129 -3.695 1.00 0.00 N ATOM 316 CA CYS A 447 5.751 1.347 -4.497 1.00 0.00 C ATOM 317 C CYS A 447 7.149 1.900 -4.759 1.00 0.00 C ATOM 318 O CYS A 447 8.015 1.856 -3.886 1.00 0.00 O ATOM 319 CB CYS A 447 4.940 2.427 -3.776 1.00 0.00 C ATOM 320 SG CYS A 447 3.171 2.049 -3.743 1.00 0.00 S ATOM 0 H CYS A 447 6.215 0.275 -2.763 1.00 0.00 H new ATOM 0 HA CYS A 447 5.265 1.088 -5.438 1.00 0.00 H new ATOM 0 HB2 CYS A 447 5.306 2.532 -2.755 1.00 0.00 H new ATOM 0 HB3 CYS A 447 5.095 3.386 -4.271 1.00 0.00 H new ATOM 325 N ARG A 448 7.370 2.430 -5.967 1.00 0.00 N ATOM 326 CA ARG A 448 8.622 3.099 -6.305 1.00 0.00 C ATOM 327 C ARG A 448 8.612 4.549 -5.820 1.00 0.00 C ATOM 328 O ARG A 448 9.618 5.247 -5.941 1.00 0.00 O ATOM 329 CB ARG A 448 8.854 3.029 -7.817 1.00 0.00 C ATOM 330 CG ARG A 448 9.077 1.588 -8.271 1.00 0.00 C ATOM 331 CD ARG A 448 9.341 1.561 -9.776 1.00 0.00 C ATOM 332 NE ARG A 448 9.653 0.208 -10.245 1.00 0.00 N ATOM 333 CZ ARG A 448 9.834 -0.114 -11.529 1.00 0.00 C ATOM 334 NH1 ARG A 448 9.736 0.812 -12.478 1.00 0.00 N ATOM 335 NH2 ARG A 448 10.114 -1.367 -11.870 1.00 0.00 N ATOM 0 H ARG A 448 6.691 2.406 -6.728 1.00 0.00 H new ATOM 0 HA ARG A 448 9.442 2.588 -5.801 1.00 0.00 H new ATOM 0 HB2 ARG A 448 7.995 3.450 -8.340 1.00 0.00 H new ATOM 0 HB3 ARG A 448 9.719 3.636 -8.084 1.00 0.00 H new ATOM 0 HG2 ARG A 448 9.921 1.154 -7.735 1.00 0.00 H new ATOM 0 HG3 ARG A 448 8.203 0.982 -8.034 1.00 0.00 H new ATOM 0 HD2 ARG A 448 8.466 1.938 -10.306 1.00 0.00 H new ATOM 0 HD3 ARG A 448 10.169 2.229 -10.013 1.00 0.00 H new ATOM 0 HE ARG A 448 9.737 -0.533 -9.549 1.00 0.00 H new ATOM 0 HH11 ARG A 448 9.521 1.777 -12.228 1.00 0.00 H new ATOM 0 HH12 ARG A 448 9.876 0.557 -13.456 1.00 0.00 H new ATOM 0 HH21 ARG A 448 10.191 -2.086 -11.151 1.00 0.00 H new ATOM 0 HH22 ARG A 448 10.252 -1.610 -12.851 1.00 0.00 H new ATOM 349 N ASP A 449 7.482 5.004 -5.276 1.00 0.00 N ATOM 350 CA ASP A 449 7.331 6.350 -4.745 1.00 0.00 C ATOM 351 C ASP A 449 8.030 6.462 -3.393 1.00 0.00 C ATOM 352 O ASP A 449 8.187 5.467 -2.686 1.00 0.00 O ATOM 353 CB ASP A 449 5.844 6.671 -4.621 1.00 0.00 C ATOM 354 CG ASP A 449 5.158 6.673 -5.985 1.00 0.00 C ATOM 355 OD1 ASP A 449 4.834 5.565 -6.472 1.00 0.00 O ATOM 356 OD2 ASP A 449 4.966 7.781 -6.532 1.00 0.00 O ATOM 0 H ASP A 449 6.638 4.437 -5.193 1.00 0.00 H new ATOM 0 HA ASP A 449 7.794 7.070 -5.420 1.00 0.00 H new ATOM 0 HB2 ASP A 449 5.365 5.938 -3.972 1.00 0.00 H new ATOM 0 HB3 ASP A 449 5.719 7.645 -4.148 1.00 0.00 H new ATOM 361 N GLN A 450 8.450 7.675 -3.029 1.00 0.00 N ATOM 362 CA GLN A 450 9.229 7.902 -1.819 1.00 0.00 C ATOM 363 C GLN A 450 8.345 7.952 -0.565 1.00 0.00 C ATOM 364 O GLN A 450 8.851 7.841 0.550 1.00 0.00 O ATOM 365 CB GLN A 450 10.027 9.196 -2.006 1.00 0.00 C ATOM 366 CG GLN A 450 11.067 9.389 -0.895 1.00 0.00 C ATOM 367 CD GLN A 450 11.930 10.626 -1.133 1.00 0.00 C ATOM 368 OE1 GLN A 450 11.756 11.348 -2.110 1.00 0.00 O ATOM 369 NE2 GLN A 450 12.878 10.881 -0.232 1.00 0.00 N ATOM 0 H GLN A 450 8.259 8.522 -3.565 1.00 0.00 H new ATOM 0 HA GLN A 450 9.911 7.067 -1.662 1.00 0.00 H new ATOM 0 HB2 GLN A 450 10.528 9.177 -2.974 1.00 0.00 H new ATOM 0 HB3 GLN A 450 9.344 10.046 -2.017 1.00 0.00 H new ATOM 0 HG2 GLN A 450 10.560 9.479 0.066 1.00 0.00 H new ATOM 0 HG3 GLN A 450 11.705 8.507 -0.837 1.00 0.00 H new ATOM 0 HE21 GLN A 450 12.999 10.263 0.570 1.00 0.00 H new ATOM 0 HE22 GLN A 450 13.483 11.695 -0.344 1.00 0.00 H new ATOM 378 N VAL A 451 7.030 8.118 -0.733 1.00 0.00 N ATOM 379 CA VAL A 451 6.117 8.241 0.398 1.00 0.00 C ATOM 380 C VAL A 451 5.682 6.879 0.936 1.00 0.00 C ATOM 381 O VAL A 451 5.136 6.799 2.037 1.00 0.00 O ATOM 382 CB VAL A 451 4.897 9.080 0.009 1.00 0.00 C ATOM 383 CG1 VAL A 451 5.318 10.498 -0.387 1.00 0.00 C ATOM 384 CG2 VAL A 451 4.141 8.445 -1.156 1.00 0.00 C ATOM 0 H VAL A 451 6.577 8.170 -1.645 1.00 0.00 H new ATOM 0 HA VAL A 451 6.656 8.747 1.199 1.00 0.00 H new ATOM 0 HB VAL A 451 4.243 9.123 0.880 1.00 0.00 H new ATOM 0 HG11 VAL A 451 4.436 11.077 -0.660 1.00 0.00 H new ATOM 0 HG12 VAL A 451 5.820 10.977 0.454 1.00 0.00 H new ATOM 0 HG13 VAL A 451 5.998 10.451 -1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 451 3.280 9.063 -1.411 1.00 0.00 H new ATOM 0 HG22 VAL A 451 4.801 8.369 -2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 451 3.802 7.449 -0.870 1.00 0.00 H new ATOM 394 N CYS A 452 5.922 5.810 0.170 1.00 0.00 N ATOM 395 CA CYS A 452 5.570 4.453 0.563 1.00 0.00 C ATOM 396 C CYS A 452 6.572 3.459 -0.028 1.00 0.00 C ATOM 397 O CYS A 452 6.194 2.408 -0.546 1.00 0.00 O ATOM 398 CB CYS A 452 4.116 4.152 0.183 1.00 0.00 C ATOM 399 SG CYS A 452 3.814 4.493 -1.570 1.00 0.00 S ATOM 0 H CYS A 452 6.369 5.868 -0.745 1.00 0.00 H new ATOM 0 HA CYS A 452 5.632 4.350 1.646 1.00 0.00 H new ATOM 0 HB2 CYS A 452 3.890 3.107 0.397 1.00 0.00 H new ATOM 0 HB3 CYS A 452 3.445 4.755 0.795 1.00 0.00 H new ATOM 404 N PHE A 453 7.863 3.804 0.054 1.00 0.00 N ATOM 405 CA PHE A 453 8.968 3.015 -0.481 1.00 0.00 C ATOM 406 C PHE A 453 9.235 1.759 0.361 1.00 0.00 C ATOM 407 O PHE A 453 10.384 1.402 0.617 1.00 0.00 O ATOM 408 CB PHE A 453 10.209 3.909 -0.590 1.00 0.00 C ATOM 409 CG PHE A 453 11.311 3.345 -1.457 1.00 0.00 C ATOM 410 CD1 PHE A 453 11.112 3.222 -2.840 1.00 0.00 C ATOM 411 CD2 PHE A 453 12.532 2.951 -0.887 1.00 0.00 C ATOM 412 CE1 PHE A 453 12.130 2.702 -3.652 1.00 0.00 C ATOM 413 CE2 PHE A 453 13.549 2.430 -1.699 1.00 0.00 C ATOM 414 CZ PHE A 453 13.348 2.304 -3.080 1.00 0.00 C ATOM 0 H PHE A 453 8.171 4.664 0.508 1.00 0.00 H new ATOM 0 HA PHE A 453 8.702 2.655 -1.475 1.00 0.00 H new ATOM 0 HB2 PHE A 453 9.910 4.878 -0.989 1.00 0.00 H new ATOM 0 HB3 PHE A 453 10.604 4.084 0.411 1.00 0.00 H new ATOM 0 HD1 PHE A 453 10.174 3.528 -3.280 1.00 0.00 H new ATOM 0 HD2 PHE A 453 12.688 3.049 0.177 1.00 0.00 H new ATOM 0 HE1 PHE A 453 11.977 2.608 -4.717 1.00 0.00 H new ATOM 0 HE2 PHE A 453 14.488 2.126 -1.260 1.00 0.00 H new ATOM 0 HZ PHE A 453 14.131 1.900 -3.705 1.00 0.00 H new ATOM 424 N LYS A 454 8.165 1.086 0.798 1.00 0.00 N ATOM 425 CA LYS A 454 8.233 -0.095 1.644 1.00 0.00 C ATOM 426 C LYS A 454 7.327 -1.192 1.087 1.00 0.00 C ATOM 427 O LYS A 454 6.523 -0.940 0.190 1.00 0.00 O ATOM 428 CB LYS A 454 7.820 0.272 3.070 1.00 0.00 C ATOM 429 CG LYS A 454 8.812 1.255 3.691 1.00 0.00 C ATOM 430 CD LYS A 454 8.405 1.567 5.130 1.00 0.00 C ATOM 431 CE LYS A 454 9.413 2.537 5.742 1.00 0.00 C ATOM 432 NZ LYS A 454 9.075 2.855 7.144 1.00 0.00 N ATOM 0 H LYS A 454 7.210 1.359 0.564 1.00 0.00 H new ATOM 0 HA LYS A 454 9.256 -0.471 1.660 1.00 0.00 H new ATOM 0 HB2 LYS A 454 6.823 0.712 3.062 1.00 0.00 H new ATOM 0 HB3 LYS A 454 7.765 -0.630 3.680 1.00 0.00 H new ATOM 0 HG2 LYS A 454 9.816 0.832 3.672 1.00 0.00 H new ATOM 0 HG3 LYS A 454 8.842 2.174 3.105 1.00 0.00 H new ATOM 0 HD2 LYS A 454 7.406 2.002 5.151 1.00 0.00 H new ATOM 0 HD3 LYS A 454 8.365 0.649 5.716 1.00 0.00 H new ATOM 0 HE2 LYS A 454 10.412 2.102 5.697 1.00 0.00 H new ATOM 0 HE3 LYS A 454 9.438 3.455 5.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 454 9.779 3.516 7.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 454 8.132 3.292 7.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 454 9.075 1.981 7.708 1.00 0.00 H new ATOM 446 N TYR A 455 7.454 -2.408 1.621 1.00 0.00 N ATOM 447 CA TYR A 455 6.629 -3.528 1.195 1.00 0.00 C ATOM 448 C TYR A 455 5.327 -3.567 1.987 1.00 0.00 C ATOM 449 O TYR A 455 5.289 -3.194 3.158 1.00 0.00 O ATOM 450 CB TYR A 455 7.403 -4.840 1.320 1.00 0.00 C ATOM 451 CG TYR A 455 8.493 -4.993 0.283 1.00 0.00 C ATOM 452 CD1 TYR A 455 8.175 -5.517 -0.981 1.00 0.00 C ATOM 453 CD2 TYR A 455 9.812 -4.616 0.576 1.00 0.00 C ATOM 454 CE1 TYR A 455 9.173 -5.664 -1.954 1.00 0.00 C ATOM 455 CE2 TYR A 455 10.817 -4.761 -0.392 1.00 0.00 C ATOM 456 CZ TYR A 455 10.500 -5.287 -1.661 1.00 0.00 C ATOM 457 OH TYR A 455 11.472 -5.430 -2.606 1.00 0.00 O ATOM 0 H TYR A 455 8.126 -2.638 2.353 1.00 0.00 H new ATOM 0 HA TYR A 455 6.371 -3.394 0.144 1.00 0.00 H new ATOM 0 HB2 TYR A 455 7.846 -4.899 2.314 1.00 0.00 H new ATOM 0 HB3 TYR A 455 6.707 -5.674 1.231 1.00 0.00 H new ATOM 0 HD1 TYR A 455 7.159 -5.807 -1.204 1.00 0.00 H new ATOM 0 HD2 TYR A 455 10.054 -4.213 1.548 1.00 0.00 H new ATOM 0 HE1 TYR A 455 8.926 -6.065 -2.926 1.00 0.00 H new ATOM 0 HE2 TYR A 455 11.832 -4.470 -0.165 1.00 0.00 H new ATOM 0 HH TYR A 455 12.329 -5.123 -2.243 1.00 0.00 H new ATOM 467 N PHE A 456 4.260 -4.022 1.331 1.00 0.00 N ATOM 468 CA PHE A 456 2.932 -4.088 1.912 1.00 0.00 C ATOM 469 C PHE A 456 2.172 -5.294 1.367 1.00 0.00 C ATOM 470 O PHE A 456 2.628 -5.972 0.447 1.00 0.00 O ATOM 471 CB PHE A 456 2.163 -2.808 1.570 1.00 0.00 C ATOM 472 CG PHE A 456 2.800 -1.533 2.080 1.00 0.00 C ATOM 473 CD1 PHE A 456 2.635 -1.146 3.419 1.00 0.00 C ATOM 474 CD2 PHE A 456 3.554 -0.730 1.211 1.00 0.00 C ATOM 475 CE1 PHE A 456 3.217 0.042 3.885 1.00 0.00 C ATOM 476 CE2 PHE A 456 4.135 0.456 1.679 1.00 0.00 C ATOM 477 CZ PHE A 456 3.966 0.843 3.016 1.00 0.00 C ATOM 0 H PHE A 456 4.301 -4.358 0.369 1.00 0.00 H new ATOM 0 HA PHE A 456 3.025 -4.188 2.993 1.00 0.00 H new ATOM 0 HB2 PHE A 456 2.062 -2.740 0.487 1.00 0.00 H new ATOM 0 HB3 PHE A 456 1.156 -2.885 1.980 1.00 0.00 H new ATOM 0 HD1 PHE A 456 2.059 -1.764 4.092 1.00 0.00 H new ATOM 0 HD2 PHE A 456 3.687 -1.026 0.181 1.00 0.00 H new ATOM 0 HE1 PHE A 456 3.087 0.339 4.915 1.00 0.00 H new ATOM 0 HE2 PHE A 456 4.714 1.073 1.008 1.00 0.00 H new ATOM 0 HZ PHE A 456 4.413 1.758 3.375 1.00 0.00 H new ATOM 487 N CYS A 457 1.002 -5.545 1.952 1.00 0.00 N ATOM 488 CA CYS A 457 0.078 -6.590 1.550 1.00 0.00 C ATOM 489 C CYS A 457 -1.288 -5.957 1.293 1.00 0.00 C ATOM 490 O CYS A 457 -1.446 -4.748 1.457 1.00 0.00 O ATOM 491 CB CYS A 457 0.054 -7.690 2.619 1.00 0.00 C ATOM 492 SG CYS A 457 -0.320 -6.977 4.240 1.00 0.00 S ATOM 0 H CYS A 457 0.664 -5.003 2.748 1.00 0.00 H new ATOM 0 HA CYS A 457 0.393 -7.070 0.623 1.00 0.00 H new ATOM 0 HB2 CYS A 457 -0.694 -8.441 2.362 1.00 0.00 H new ATOM 0 HB3 CYS A 457 1.018 -8.198 2.650 1.00 0.00 H new ATOM 497 N ARG A 458 -2.288 -6.745 0.888 1.00 0.00 N ATOM 498 CA ARG A 458 -3.577 -6.208 0.461 1.00 0.00 C ATOM 499 C ARG A 458 -4.209 -5.315 1.529 1.00 0.00 C ATOM 500 O ARG A 458 -4.805 -4.290 1.202 1.00 0.00 O ATOM 501 CB ARG A 458 -4.498 -7.383 0.116 1.00 0.00 C ATOM 502 CG ARG A 458 -5.842 -6.904 -0.437 1.00 0.00 C ATOM 503 CD ARG A 458 -6.691 -8.122 -0.802 1.00 0.00 C ATOM 504 NE ARG A 458 -8.008 -7.724 -1.310 1.00 0.00 N ATOM 505 CZ ARG A 458 -8.955 -8.586 -1.690 1.00 0.00 C ATOM 506 NH1 ARG A 458 -8.746 -9.897 -1.624 1.00 0.00 N ATOM 507 NH2 ARG A 458 -10.123 -8.133 -2.139 1.00 0.00 N ATOM 0 H ARG A 458 -2.226 -7.762 0.848 1.00 0.00 H new ATOM 0 HA ARG A 458 -3.426 -5.578 -0.416 1.00 0.00 H new ATOM 0 HB2 ARG A 458 -4.010 -8.025 -0.618 1.00 0.00 H new ATOM 0 HB3 ARG A 458 -4.666 -7.988 1.007 1.00 0.00 H new ATOM 0 HG2 ARG A 458 -6.358 -6.293 0.304 1.00 0.00 H new ATOM 0 HG3 ARG A 458 -5.686 -6.277 -1.315 1.00 0.00 H new ATOM 0 HD2 ARG A 458 -6.173 -8.716 -1.555 1.00 0.00 H new ATOM 0 HD3 ARG A 458 -6.815 -8.757 0.075 1.00 0.00 H new ATOM 0 HE ARG A 458 -8.214 -6.727 -1.377 1.00 0.00 H new ATOM 0 HH11 ARG A 458 -7.855 -10.255 -1.280 1.00 0.00 H new ATOM 0 HH12 ARG A 458 -9.477 -10.545 -1.917 1.00 0.00 H new ATOM 0 HH21 ARG A 458 -10.294 -7.129 -2.193 1.00 0.00 H new ATOM 0 HH22 ARG A 458 -10.847 -8.790 -2.430 1.00 0.00 H new ATOM 521 N SER A 459 -4.082 -5.696 2.802 1.00 0.00 N ATOM 522 CA SER A 459 -4.713 -4.981 3.897 1.00 0.00 C ATOM 523 C SER A 459 -4.097 -3.601 4.097 1.00 0.00 C ATOM 524 O SER A 459 -4.818 -2.606 4.175 1.00 0.00 O ATOM 525 CB SER A 459 -4.548 -5.803 5.176 1.00 0.00 C ATOM 526 OG SER A 459 -5.280 -7.009 5.068 1.00 0.00 O ATOM 0 H SER A 459 -3.539 -6.508 3.095 1.00 0.00 H new ATOM 0 HA SER A 459 -5.768 -4.842 3.659 1.00 0.00 H new ATOM 0 HB2 SER A 459 -3.494 -6.021 5.346 1.00 0.00 H new ATOM 0 HB3 SER A 459 -4.898 -5.230 6.035 1.00 0.00 H new ATOM 0 HG SER A 459 -5.170 -7.533 5.889 1.00 0.00 H new ATOM 532 N CYS A 460 -2.765 -3.535 4.183 1.00 0.00 N ATOM 533 CA CYS A 460 -2.081 -2.290 4.481 1.00 0.00 C ATOM 534 C CYS A 460 -1.792 -1.485 3.215 1.00 0.00 C ATOM 535 O CYS A 460 -1.496 -0.293 3.304 1.00 0.00 O ATOM 536 CB CYS A 460 -0.833 -2.604 5.300 1.00 0.00 C ATOM 537 SG CYS A 460 0.142 -3.890 4.484 1.00 0.00 S ATOM 0 H CYS A 460 -2.146 -4.334 4.049 1.00 0.00 H new ATOM 0 HA CYS A 460 -2.725 -1.645 5.078 1.00 0.00 H new ATOM 0 HB2 CYS A 460 -0.232 -1.703 5.420 1.00 0.00 H new ATOM 0 HB3 CYS A 460 -1.118 -2.933 6.299 1.00 0.00 H new ATOM 542 N TRP A 461 -1.877 -2.112 2.039 1.00 0.00 N ATOM 543 CA TRP A 461 -1.804 -1.372 0.794 1.00 0.00 C ATOM 544 C TRP A 461 -2.980 -0.407 0.735 1.00 0.00 C ATOM 545 O TRP A 461 -2.819 0.733 0.305 1.00 0.00 O ATOM 546 CB TRP A 461 -1.846 -2.322 -0.403 1.00 0.00 C ATOM 547 CG TRP A 461 -1.925 -1.625 -1.729 1.00 0.00 C ATOM 548 CD1 TRP A 461 -3.063 -1.259 -2.356 1.00 0.00 C ATOM 549 CD2 TRP A 461 -0.841 -1.186 -2.602 1.00 0.00 C ATOM 550 NE1 TRP A 461 -2.761 -0.618 -3.537 1.00 0.00 N ATOM 551 CE2 TRP A 461 -1.397 -0.530 -3.735 1.00 0.00 C ATOM 552 CE3 TRP A 461 0.564 -1.258 -2.529 1.00 0.00 C ATOM 553 CZ2 TRP A 461 -0.606 0.039 -4.741 1.00 0.00 C ATOM 554 CZ3 TRP A 461 1.363 -0.704 -3.539 1.00 0.00 C ATOM 555 CH2 TRP A 461 0.787 -0.054 -4.640 1.00 0.00 C ATOM 0 H TRP A 461 -1.995 -3.119 1.931 1.00 0.00 H new ATOM 0 HA TRP A 461 -0.864 -0.822 0.753 1.00 0.00 H new ATOM 0 HB2 TRP A 461 -0.956 -2.951 -0.387 1.00 0.00 H new ATOM 0 HB3 TRP A 461 -2.706 -2.984 -0.299 1.00 0.00 H new ATOM 0 HD1 TRP A 461 -4.061 -1.442 -1.987 1.00 0.00 H new ATOM 0 HE1 TRP A 461 -3.459 -0.253 -4.185 1.00 0.00 H new ATOM 0 HE3 TRP A 461 1.031 -1.745 -1.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 461 -1.063 0.541 -5.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 461 2.438 -0.779 -3.468 1.00 0.00 H new ATOM 0 HH2 TRP A 461 1.416 0.373 -5.407 1.00 0.00 H new ATOM 566 N HIS A 462 -4.166 -0.842 1.168 1.00 0.00 N ATOM 567 CA HIS A 462 -5.315 0.050 1.182 1.00 0.00 C ATOM 568 C HIS A 462 -5.211 1.054 2.329 1.00 0.00 C ATOM 569 O HIS A 462 -5.757 2.149 2.229 1.00 0.00 O ATOM 570 CB HIS A 462 -6.602 -0.770 1.277 1.00 0.00 C ATOM 571 CG HIS A 462 -6.854 -1.600 0.046 1.00 0.00 C ATOM 572 ND1 HIS A 462 -6.731 -1.147 -1.269 1.00 0.00 N ATOM 573 CD2 HIS A 462 -7.248 -2.907 0.037 1.00 0.00 C ATOM 574 CE1 HIS A 462 -7.046 -2.200 -2.039 1.00 0.00 C ATOM 575 NE2 HIS A 462 -7.365 -3.268 -1.284 1.00 0.00 N ATOM 0 H HIS A 462 -4.349 -1.787 1.506 1.00 0.00 H new ATOM 0 HA HIS A 462 -5.334 0.620 0.253 1.00 0.00 H new ATOM 0 HB2 HIS A 462 -6.548 -1.425 2.147 1.00 0.00 H new ATOM 0 HB3 HIS A 462 -7.445 -0.098 1.436 1.00 0.00 H new ATOM 0 HD2 HIS A 462 -7.431 -3.533 0.898 1.00 0.00 H new ATOM 0 HE1 HIS A 462 -7.044 -2.192 -3.119 1.00 0.00 H new ATOM 0 HE2 HIS A 462 -7.645 -4.185 -1.632 1.00 0.00 H new ATOM 583 N TRP A 463 -4.515 0.705 3.416 1.00 0.00 N ATOM 584 CA TRP A 463 -4.300 1.651 4.506 1.00 0.00 C ATOM 585 C TRP A 463 -3.288 2.730 4.118 1.00 0.00 C ATOM 586 O TRP A 463 -3.094 3.687 4.869 1.00 0.00 O ATOM 587 CB TRP A 463 -3.842 0.914 5.766 1.00 0.00 C ATOM 588 CG TRP A 463 -4.771 -0.137 6.289 1.00 0.00 C ATOM 589 CD1 TRP A 463 -6.103 -0.201 6.077 1.00 0.00 C ATOM 590 CD2 TRP A 463 -4.453 -1.295 7.123 1.00 0.00 C ATOM 591 NE1 TRP A 463 -6.628 -1.306 6.713 1.00 0.00 N ATOM 592 CE2 TRP A 463 -5.649 -2.025 7.369 1.00 0.00 C ATOM 593 CE3 TRP A 463 -3.269 -1.803 7.683 1.00 0.00 C ATOM 594 CZ2 TRP A 463 -5.667 -3.200 8.131 1.00 0.00 C ATOM 595 CZ3 TRP A 463 -3.272 -2.980 8.448 1.00 0.00 C ATOM 596 CH2 TRP A 463 -4.469 -3.678 8.675 1.00 0.00 C ATOM 0 H TRP A 463 -4.097 -0.214 3.560 1.00 0.00 H new ATOM 0 HA TRP A 463 -5.249 2.146 4.713 1.00 0.00 H new ATOM 0 HB2 TRP A 463 -2.878 0.448 5.560 1.00 0.00 H new ATOM 0 HB3 TRP A 463 -3.678 1.650 6.553 1.00 0.00 H new ATOM 0 HD1 TRP A 463 -6.673 0.508 5.495 1.00 0.00 H new ATOM 0 HE1 TRP A 463 -7.616 -1.560 6.700 1.00 0.00 H new ATOM 0 HE3 TRP A 463 -2.339 -1.278 7.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 463 -6.593 -3.730 8.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 463 -2.347 -3.351 8.865 1.00 0.00 H new ATOM 0 HH2 TRP A 463 -4.465 -4.581 9.268 1.00 0.00 H new ATOM 607 N ARG A 464 -2.637 2.591 2.955 1.00 0.00 N ATOM 608 CA ARG A 464 -1.686 3.580 2.454 1.00 0.00 C ATOM 609 C ARG A 464 -2.046 4.093 1.061 1.00 0.00 C ATOM 610 O ARG A 464 -1.351 4.967 0.548 1.00 0.00 O ATOM 611 CB ARG A 464 -0.283 2.971 2.435 1.00 0.00 C ATOM 612 CG ARG A 464 0.253 2.702 3.842 1.00 0.00 C ATOM 613 CD ARG A 464 0.519 4.017 4.583 1.00 0.00 C ATOM 614 NE ARG A 464 1.018 3.765 5.940 1.00 0.00 N ATOM 615 CZ ARG A 464 0.244 3.560 7.009 1.00 0.00 C ATOM 616 NH1 ARG A 464 -1.083 3.574 6.909 1.00 0.00 N ATOM 617 NH2 ARG A 464 0.801 3.340 8.196 1.00 0.00 N ATOM 0 H ARG A 464 -2.758 1.788 2.338 1.00 0.00 H new ATOM 0 HA ARG A 464 -1.721 4.436 3.127 1.00 0.00 H new ATOM 0 HB2 ARG A 464 -0.302 2.038 1.872 1.00 0.00 H new ATOM 0 HB3 ARG A 464 0.396 3.645 1.913 1.00 0.00 H new ATOM 0 HG2 ARG A 464 -0.465 2.103 4.401 1.00 0.00 H new ATOM 0 HG3 ARG A 464 1.173 2.121 3.781 1.00 0.00 H new ATOM 0 HD2 ARG A 464 1.246 4.610 4.029 1.00 0.00 H new ATOM 0 HD3 ARG A 464 -0.399 4.603 4.632 1.00 0.00 H new ATOM 0 HE ARG A 464 2.029 3.745 6.077 1.00 0.00 H new ATOM 0 HH11 ARG A 464 -1.525 3.743 6.005 1.00 0.00 H new ATOM 0 HH12 ARG A 464 -1.658 3.415 7.736 1.00 0.00 H new ATOM 0 HH21 ARG A 464 1.817 3.328 8.288 1.00 0.00 H new ATOM 0 HH22 ARG A 464 0.213 3.183 9.014 1.00 0.00 H new ATOM 631 N HIS A 465 -3.109 3.574 0.441 1.00 0.00 N ATOM 632 CA HIS A 465 -3.471 3.982 -0.910 1.00 0.00 C ATOM 633 C HIS A 465 -4.977 4.149 -1.114 1.00 0.00 C ATOM 634 O HIS A 465 -5.406 4.446 -2.228 1.00 0.00 O ATOM 635 CB HIS A 465 -2.890 2.980 -1.912 1.00 0.00 C ATOM 636 CG HIS A 465 -1.392 2.831 -1.807 1.00 0.00 C ATOM 637 ND1 HIS A 465 -0.718 1.715 -1.370 1.00 0.00 N ATOM 638 CD2 HIS A 465 -0.445 3.769 -2.126 1.00 0.00 C ATOM 639 CE1 HIS A 465 0.598 1.974 -1.431 1.00 0.00 C ATOM 640 NE2 HIS A 465 0.825 3.216 -1.893 1.00 0.00 N ATOM 0 H HIS A 465 -3.727 2.875 0.853 1.00 0.00 H new ATOM 0 HA HIS A 465 -3.043 4.970 -1.077 1.00 0.00 H new ATOM 0 HB2 HIS A 465 -3.357 2.008 -1.755 1.00 0.00 H new ATOM 0 HB3 HIS A 465 -3.147 3.297 -2.923 1.00 0.00 H new ATOM 0 HD1 HIS A 465 -1.143 0.843 -1.055 1.00 0.00 H new ATOM 0 HD2 HIS A 465 -0.642 4.765 -2.494 1.00 0.00 H new ATOM 0 HE1 HIS A 465 1.372 1.277 -1.146 1.00 0.00 H new ATOM 648 N SER A 466 -5.793 3.971 -0.068 1.00 0.00 N ATOM 649 CA SER A 466 -7.228 4.223 -0.185 1.00 0.00 C ATOM 650 C SER A 466 -7.494 5.727 -0.187 1.00 0.00 C ATOM 651 O SER A 466 -8.541 6.173 -0.653 1.00 0.00 O ATOM 652 CB SER A 466 -7.966 3.537 0.960 1.00 0.00 C ATOM 653 OG SER A 466 -9.360 3.732 0.831 1.00 0.00 O ATOM 0 H SER A 466 -5.488 3.658 0.854 1.00 0.00 H new ATOM 0 HA SER A 466 -7.595 3.812 -1.125 1.00 0.00 H new ATOM 0 HB2 SER A 466 -7.739 2.471 0.961 1.00 0.00 H new ATOM 0 HB3 SER A 466 -7.623 3.937 1.914 1.00 0.00 H new ATOM 0 HG SER A 466 -9.823 3.286 1.571 1.00 0.00 H new ATOM 659 N MET A 467 -6.546 6.514 0.331 1.00 0.00 N ATOM 660 CA MET A 467 -6.625 7.964 0.296 1.00 0.00 C ATOM 661 C MET A 467 -6.463 8.439 -1.143 1.00 0.00 C ATOM 662 O MET A 467 -5.707 7.848 -1.911 1.00 0.00 O ATOM 663 CB MET A 467 -5.559 8.570 1.219 1.00 0.00 C ATOM 664 CG MET A 467 -4.144 8.185 0.779 1.00 0.00 C ATOM 665 SD MET A 467 -2.827 8.840 1.835 1.00 0.00 S ATOM 666 CE MET A 467 -3.152 7.899 3.348 1.00 0.00 C ATOM 0 H MET A 467 -5.705 6.157 0.785 1.00 0.00 H new ATOM 0 HA MET A 467 -7.598 8.296 0.659 1.00 0.00 H new ATOM 0 HB2 MET A 467 -5.656 9.656 1.223 1.00 0.00 H new ATOM 0 HB3 MET A 467 -5.727 8.231 2.241 1.00 0.00 H new ATOM 0 HG2 MET A 467 -4.067 7.098 0.756 1.00 0.00 H new ATOM 0 HG3 MET A 467 -3.985 8.538 -0.240 1.00 0.00 H new ATOM 0 HE1 MET A 467 -2.291 7.970 4.013 1.00 0.00 H new ATOM 0 HE2 MET A 467 -4.031 8.306 3.848 1.00 0.00 H new ATOM 0 HE3 MET A 467 -3.330 6.854 3.095 1.00 0.00 H new ATOM 676 N GLU A 468 -7.169 9.508 -1.517 1.00 0.00 N ATOM 677 CA GLU A 468 -7.181 9.995 -2.891 1.00 0.00 C ATOM 678 C GLU A 468 -5.852 10.622 -3.310 1.00 0.00 C ATOM 679 O GLU A 468 -5.677 10.963 -4.479 1.00 0.00 O ATOM 680 CB GLU A 468 -8.346 10.973 -3.080 1.00 0.00 C ATOM 681 CG GLU A 468 -8.126 12.323 -2.386 1.00 0.00 C ATOM 682 CD GLU A 468 -7.995 12.190 -0.869 1.00 0.00 C ATOM 683 OE1 GLU A 468 -8.860 11.516 -0.266 1.00 0.00 O ATOM 684 OE2 GLU A 468 -7.030 12.765 -0.317 1.00 0.00 O ATOM 0 H GLU A 468 -7.744 10.055 -0.877 1.00 0.00 H new ATOM 0 HA GLU A 468 -7.323 9.136 -3.547 1.00 0.00 H new ATOM 0 HB2 GLU A 468 -8.500 11.142 -4.146 1.00 0.00 H new ATOM 0 HB3 GLU A 468 -9.258 10.519 -2.694 1.00 0.00 H new ATOM 0 HG2 GLU A 468 -7.226 12.790 -2.785 1.00 0.00 H new ATOM 0 HG3 GLU A 468 -8.959 12.987 -2.618 1.00 0.00 H new ATOM 691 N GLY A 469 -4.915 10.779 -2.371 1.00 0.00 N ATOM 692 CA GLY A 469 -3.635 11.413 -2.650 1.00 0.00 C ATOM 693 C GLY A 469 -2.616 10.468 -3.284 1.00 0.00 C ATOM 694 O GLY A 469 -1.686 10.942 -3.929 1.00 0.00 O ATOM 0 H GLY A 469 -5.026 10.471 -1.405 1.00 0.00 H new ATOM 0 HA2 GLY A 469 -3.795 12.262 -3.315 1.00 0.00 H new ATOM 0 HA3 GLY A 469 -3.224 11.809 -1.721 1.00 0.00 H new ATOM 698 N LEU A 470 -2.776 9.149 -3.114 1.00 0.00 N ATOM 699 CA LEU A 470 -1.791 8.174 -3.580 1.00 0.00 C ATOM 700 C LEU A 470 -2.388 7.126 -4.522 1.00 0.00 C ATOM 701 O LEU A 470 -1.793 6.066 -4.717 1.00 0.00 O ATOM 702 CB LEU A 470 -1.091 7.494 -2.394 1.00 0.00 C ATOM 703 CG LEU A 470 -0.389 8.466 -1.436 1.00 0.00 C ATOM 704 CD1 LEU A 470 0.352 7.686 -0.353 1.00 0.00 C ATOM 705 CD2 LEU A 470 0.632 9.360 -2.138 1.00 0.00 C ATOM 0 H LEU A 470 -3.586 8.734 -2.653 1.00 0.00 H new ATOM 0 HA LEU A 470 -1.054 8.733 -4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 470 -1.827 6.918 -1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 470 -0.357 6.786 -2.778 1.00 0.00 H new ATOM 0 HG LEU A 470 -1.173 9.096 -1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 470 0.848 8.383 0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 470 -0.358 7.079 0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 470 1.096 7.038 -0.816 1.00 0.00 H new ATOM 0 HD21 LEU A 470 1.095 10.025 -1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 470 1.399 8.741 -2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 470 0.131 9.953 -2.903 1.00 0.00 H new ATOM 717 N ARG A 471 -3.556 7.396 -5.118 1.00 0.00 N ATOM 718 CA ARG A 471 -4.188 6.451 -6.038 1.00 0.00 C ATOM 719 C ARG A 471 -3.461 6.392 -7.382 1.00 0.00 C ATOM 720 O ARG A 471 -3.878 5.658 -8.277 1.00 0.00 O ATOM 721 CB ARG A 471 -5.665 6.807 -6.235 1.00 0.00 C ATOM 722 CG ARG A 471 -6.423 6.671 -4.915 1.00 0.00 C ATOM 723 CD ARG A 471 -7.909 6.935 -5.124 1.00 0.00 C ATOM 724 NE ARG A 471 -8.646 6.830 -3.858 1.00 0.00 N ATOM 725 CZ ARG A 471 -9.927 7.167 -3.705 1.00 0.00 C ATOM 726 NH1 ARG A 471 -10.638 7.630 -4.731 1.00 0.00 N ATOM 727 NH2 ARG A 471 -10.506 7.040 -2.517 1.00 0.00 N ATOM 0 H ARG A 471 -4.079 8.260 -4.978 1.00 0.00 H new ATOM 0 HA ARG A 471 -4.121 5.459 -5.591 1.00 0.00 H new ATOM 0 HB2 ARG A 471 -5.754 7.827 -6.610 1.00 0.00 H new ATOM 0 HB3 ARG A 471 -6.107 6.152 -6.986 1.00 0.00 H new ATOM 0 HG2 ARG A 471 -6.279 5.670 -4.508 1.00 0.00 H new ATOM 0 HG3 ARG A 471 -6.022 7.373 -4.184 1.00 0.00 H new ATOM 0 HD2 ARG A 471 -8.049 7.929 -5.549 1.00 0.00 H new ATOM 0 HD3 ARG A 471 -8.311 6.221 -5.843 1.00 0.00 H new ATOM 0 HE ARG A 471 -8.145 6.476 -3.043 1.00 0.00 H new ATOM 0 HH11 ARG A 471 -10.204 7.731 -5.648 1.00 0.00 H new ATOM 0 HH12 ARG A 471 -11.617 7.884 -4.600 1.00 0.00 H new ATOM 0 HH21 ARG A 471 -9.971 6.685 -1.724 1.00 0.00 H new ATOM 0 HH22 ARG A 471 -11.486 7.297 -2.397 1.00 0.00 H new ATOM 741 N HIS A 472 -2.375 7.154 -7.531 1.00 0.00 N ATOM 742 CA HIS A 472 -1.596 7.210 -8.761 1.00 0.00 C ATOM 743 C HIS A 472 -0.439 6.208 -8.748 1.00 0.00 C ATOM 744 O HIS A 472 0.311 6.125 -9.720 1.00 0.00 O ATOM 745 CB HIS A 472 -1.080 8.634 -8.957 1.00 0.00 C ATOM 746 CG HIS A 472 -0.122 9.053 -7.874 1.00 0.00 C ATOM 747 ND1 HIS A 472 -0.481 9.439 -6.581 1.00 0.00 N ATOM 748 CD2 HIS A 472 1.234 9.107 -7.998 1.00 0.00 C ATOM 749 CE1 HIS A 472 0.675 9.717 -5.958 1.00 0.00 C ATOM 750 NE2 HIS A 472 1.720 9.534 -6.785 1.00 0.00 N ATOM 0 H HIS A 472 -2.011 7.754 -6.791 1.00 0.00 H new ATOM 0 HA HIS A 472 -2.240 6.934 -9.596 1.00 0.00 H new ATOM 0 HB2 HIS A 472 -0.584 8.708 -9.925 1.00 0.00 H new ATOM 0 HB3 HIS A 472 -1.924 9.323 -8.978 1.00 0.00 H new ATOM 0 HD2 HIS A 472 1.813 8.862 -8.876 1.00 0.00 H new ATOM 0 HE1 HIS A 472 0.755 10.043 -4.932 1.00 0.00 H new ATOM 0 HE2 HIS A 472 2.702 9.686 -6.553 1.00 0.00 H new ATOM 758 N HIS A 473 -0.277 5.449 -7.661 1.00 0.00 N ATOM 759 CA HIS A 473 0.793 4.473 -7.550 1.00 0.00 C ATOM 760 C HIS A 473 0.479 3.236 -8.386 1.00 0.00 C ATOM 761 O HIS A 473 -0.666 3.007 -8.776 1.00 0.00 O ATOM 762 CB HIS A 473 0.997 4.087 -6.082 1.00 0.00 C ATOM 763 CG HIS A 473 1.513 5.210 -5.219 1.00 0.00 C ATOM 764 ND1 HIS A 473 1.767 5.120 -3.844 1.00 0.00 N ATOM 765 CD2 HIS A 473 1.803 6.471 -5.645 1.00 0.00 C ATOM 766 CE1 HIS A 473 2.170 6.353 -3.483 1.00 0.00 C ATOM 767 NE2 HIS A 473 2.219 7.174 -4.543 1.00 0.00 N ATOM 0 H HIS A 473 -0.883 5.498 -6.842 1.00 0.00 H new ATOM 0 HA HIS A 473 1.713 4.917 -7.930 1.00 0.00 H new ATOM 0 HB2 HIS A 473 0.049 3.735 -5.674 1.00 0.00 H new ATOM 0 HB3 HIS A 473 1.696 3.252 -6.030 1.00 0.00 H new ATOM 0 HD2 HIS A 473 1.721 6.845 -6.655 1.00 0.00 H new ATOM 0 HE1 HIS A 473 2.421 6.643 -2.473 1.00 0.00 H new ATOM 0 HE2 HIS A 473 2.514 8.150 -4.531 1.00 0.00 H new ATOM 775 N SER A 474 1.514 2.439 -8.657 1.00 0.00 N ATOM 776 CA SER A 474 1.387 1.188 -9.384 1.00 0.00 C ATOM 777 C SER A 474 2.117 0.099 -8.601 1.00 0.00 C ATOM 778 O SER A 474 3.221 0.340 -8.104 1.00 0.00 O ATOM 779 CB SER A 474 1.963 1.349 -10.790 1.00 0.00 C ATOM 780 OG SER A 474 1.828 0.149 -11.517 1.00 0.00 O ATOM 0 H SER A 474 2.470 2.651 -8.373 1.00 0.00 H new ATOM 0 HA SER A 474 0.339 0.906 -9.487 1.00 0.00 H new ATOM 0 HB2 SER A 474 1.448 2.157 -11.310 1.00 0.00 H new ATOM 0 HB3 SER A 474 3.015 1.628 -10.729 1.00 0.00 H new ATOM 0 HG SER A 474 2.200 0.268 -12.416 1.00 0.00 H new ATOM 786 N PRO A 475 1.527 -1.095 -8.477 1.00 0.00 N ATOM 787 CA PRO A 475 2.080 -2.174 -7.676 1.00 0.00 C ATOM 788 C PRO A 475 3.355 -2.737 -8.296 1.00 0.00 C ATOM 789 O PRO A 475 3.581 -2.630 -9.501 1.00 0.00 O ATOM 790 CB PRO A 475 0.974 -3.227 -7.605 1.00 0.00 C ATOM 791 CG PRO A 475 0.209 -3.012 -8.910 1.00 0.00 C ATOM 792 CD PRO A 475 0.273 -1.495 -9.084 1.00 0.00 C ATOM 0 HA PRO A 475 2.372 -1.831 -6.684 1.00 0.00 H new ATOM 0 HB2 PRO A 475 1.381 -4.236 -7.538 1.00 0.00 H new ATOM 0 HB3 PRO A 475 0.335 -3.082 -6.734 1.00 0.00 H new ATOM 0 HG2 PRO A 475 0.675 -3.536 -9.745 1.00 0.00 H new ATOM 0 HG3 PRO A 475 -0.818 -3.370 -8.842 1.00 0.00 H new ATOM 0 HD2 PRO A 475 0.240 -1.218 -10.138 1.00 0.00 H new ATOM 0 HD3 PRO A 475 -0.572 -1.007 -8.599 1.00 0.00 H new ATOM 800 N LEU A 476 4.190 -3.343 -7.450 1.00 0.00 N ATOM 801 CA LEU A 476 5.432 -3.981 -7.851 1.00 0.00 C ATOM 802 C LEU A 476 5.579 -5.269 -7.044 1.00 0.00 C ATOM 803 O LEU A 476 5.096 -5.341 -5.915 1.00 0.00 O ATOM 804 CB LEU A 476 6.598 -3.012 -7.606 1.00 0.00 C ATOM 805 CG LEU A 476 7.915 -3.499 -8.215 1.00 0.00 C ATOM 806 CD1 LEU A 476 7.850 -3.445 -9.741 1.00 0.00 C ATOM 807 CD2 LEU A 476 9.058 -2.596 -7.757 1.00 0.00 C ATOM 0 H LEU A 476 4.012 -3.402 -6.447 1.00 0.00 H new ATOM 0 HA LEU A 476 5.431 -4.230 -8.912 1.00 0.00 H new ATOM 0 HB2 LEU A 476 6.348 -2.037 -8.025 1.00 0.00 H new ATOM 0 HB3 LEU A 476 6.729 -2.873 -6.533 1.00 0.00 H new ATOM 0 HG LEU A 476 8.083 -4.525 -7.888 1.00 0.00 H new ATOM 0 HD11 LEU A 476 8.794 -3.795 -10.158 1.00 0.00 H new ATOM 0 HD12 LEU A 476 7.039 -4.083 -10.093 1.00 0.00 H new ATOM 0 HD13 LEU A 476 7.670 -2.419 -10.061 1.00 0.00 H new ATOM 0 HD21 LEU A 476 9.994 -2.945 -8.192 1.00 0.00 H new ATOM 0 HD22 LEU A 476 8.866 -1.573 -8.082 1.00 0.00 H new ATOM 0 HD23 LEU A 476 9.131 -2.624 -6.670 1.00 0.00 H new ATOM 819 N MET A 477 6.238 -6.280 -7.613 1.00 0.00 N ATOM 820 CA MET A 477 6.316 -7.598 -6.998 1.00 0.00 C ATOM 821 C MET A 477 7.757 -8.089 -6.886 1.00 0.00 C ATOM 822 O MET A 477 8.670 -7.540 -7.506 1.00 0.00 O ATOM 823 CB MET A 477 5.475 -8.586 -7.806 1.00 0.00 C ATOM 824 CG MET A 477 4.007 -8.155 -7.845 1.00 0.00 C ATOM 825 SD MET A 477 2.916 -9.275 -8.764 1.00 0.00 S ATOM 826 CE MET A 477 3.016 -10.745 -7.713 1.00 0.00 C ATOM 0 H MET A 477 6.727 -6.206 -8.505 1.00 0.00 H new ATOM 0 HA MET A 477 5.923 -7.525 -5.984 1.00 0.00 H new ATOM 0 HB2 MET A 477 5.864 -8.655 -8.822 1.00 0.00 H new ATOM 0 HB3 MET A 477 5.554 -9.580 -7.367 1.00 0.00 H new ATOM 0 HG2 MET A 477 3.640 -8.069 -6.822 1.00 0.00 H new ATOM 0 HG3 MET A 477 3.945 -7.162 -8.290 1.00 0.00 H new ATOM 0 HE1 MET A 477 2.212 -11.434 -7.973 1.00 0.00 H new ATOM 0 HE2 MET A 477 3.977 -11.236 -7.864 1.00 0.00 H new ATOM 0 HE3 MET A 477 2.919 -10.452 -6.668 1.00 0.00 H new ATOM 836 N ARG A 478 7.947 -9.140 -6.083 1.00 0.00 N ATOM 837 CA ARG A 478 9.245 -9.754 -5.840 1.00 0.00 C ATOM 838 C ARG A 478 9.677 -10.634 -7.014 1.00 0.00 C ATOM 839 O ARG A 478 10.813 -11.105 -7.040 1.00 0.00 O ATOM 840 CB ARG A 478 9.151 -10.578 -4.555 1.00 0.00 C ATOM 841 CG ARG A 478 8.946 -9.703 -3.315 1.00 0.00 C ATOM 842 CD ARG A 478 10.198 -8.888 -2.987 1.00 0.00 C ATOM 843 NE ARG A 478 11.308 -9.763 -2.591 1.00 0.00 N ATOM 844 CZ ARG A 478 12.571 -9.359 -2.448 1.00 0.00 C ATOM 845 NH1 ARG A 478 12.916 -8.094 -2.688 1.00 0.00 N ATOM 846 NH2 ARG A 478 13.498 -10.227 -2.062 1.00 0.00 N ATOM 0 H ARG A 478 7.186 -9.592 -5.577 1.00 0.00 H new ATOM 0 HA ARG A 478 9.999 -8.975 -5.734 1.00 0.00 H new ATOM 0 HB2 ARG A 478 8.325 -11.284 -4.639 1.00 0.00 H new ATOM 0 HB3 ARG A 478 10.061 -11.165 -4.436 1.00 0.00 H new ATOM 0 HG2 ARG A 478 8.105 -9.029 -3.480 1.00 0.00 H new ATOM 0 HG3 ARG A 478 8.688 -10.333 -2.464 1.00 0.00 H new ATOM 0 HD2 ARG A 478 10.489 -8.297 -3.855 1.00 0.00 H new ATOM 0 HD3 ARG A 478 9.979 -8.186 -2.182 1.00 0.00 H new ATOM 0 HE ARG A 478 11.100 -10.746 -2.413 1.00 0.00 H new ATOM 0 HH11 ARG A 478 12.210 -7.420 -2.985 1.00 0.00 H new ATOM 0 HH12 ARG A 478 13.886 -7.800 -2.574 1.00 0.00 H new ATOM 0 HH21 ARG A 478 13.243 -11.197 -1.877 1.00 0.00 H new ATOM 0 HH22 ARG A 478 14.466 -9.924 -1.951 1.00 0.00 H new ATOM 860 N ASN A 479 8.781 -10.856 -7.980 1.00 0.00 N ATOM 861 CA ASN A 479 9.061 -11.651 -9.164 1.00 0.00 C ATOM 862 C ASN A 479 8.238 -11.125 -10.341 1.00 0.00 C ATOM 863 O ASN A 479 7.220 -10.463 -10.136 1.00 0.00 O ATOM 864 CB ASN A 479 8.735 -13.119 -8.869 1.00 0.00 C ATOM 865 CG ASN A 479 9.195 -14.051 -9.984 1.00 0.00 C ATOM 866 OD1 ASN A 479 10.003 -13.678 -10.832 1.00 0.00 O ATOM 867 ND2 ASN A 479 8.684 -15.278 -9.992 1.00 0.00 N ATOM 0 H ASN A 479 7.832 -10.482 -7.955 1.00 0.00 H new ATOM 0 HA ASN A 479 10.115 -11.576 -9.430 1.00 0.00 H new ATOM 0 HB2 ASN A 479 9.211 -13.413 -7.934 1.00 0.00 H new ATOM 0 HB3 ASN A 479 7.660 -13.228 -8.728 1.00 0.00 H new ATOM 0 HD21 ASN A 479 8.960 -15.941 -10.716 1.00 0.00 H new ATOM 0 HD22 ASN A 479 8.015 -15.557 -9.274 1.00 0.00 H new ATOM 874 N GLN A 480 8.675 -11.411 -11.570 1.00 0.00 N ATOM 875 CA GLN A 480 7.999 -10.951 -12.777 1.00 0.00 C ATOM 876 C GLN A 480 8.041 -12.015 -13.882 1.00 0.00 C ATOM 877 O GLN A 480 7.523 -11.790 -14.975 1.00 0.00 O ATOM 878 CB GLN A 480 8.660 -9.641 -13.221 1.00 0.00 C ATOM 879 CG GLN A 480 7.820 -8.880 -14.247 1.00 0.00 C ATOM 880 CD GLN A 480 8.450 -7.530 -14.568 1.00 0.00 C ATOM 881 OE1 GLN A 480 8.000 -6.496 -14.081 1.00 0.00 O ATOM 882 NE2 GLN A 480 9.495 -7.526 -15.391 1.00 0.00 N ATOM 0 H GLN A 480 9.509 -11.969 -11.752 1.00 0.00 H new ATOM 0 HA GLN A 480 6.944 -10.774 -12.569 1.00 0.00 H new ATOM 0 HB2 GLN A 480 8.825 -9.007 -12.350 1.00 0.00 H new ATOM 0 HB3 GLN A 480 9.639 -9.858 -13.647 1.00 0.00 H new ATOM 0 HG2 GLN A 480 7.729 -9.470 -15.159 1.00 0.00 H new ATOM 0 HG3 GLN A 480 6.811 -8.733 -13.861 1.00 0.00 H new ATOM 0 HE21 GLN A 480 9.843 -8.403 -15.778 1.00 0.00 H new ATOM 0 HE22 GLN A 480 9.948 -6.646 -15.635 1.00 0.00 H new ATOM 891 N LYS A 481 8.653 -13.174 -13.615 1.00 0.00 N ATOM 892 CA LYS A 481 8.778 -14.238 -14.605 1.00 0.00 C ATOM 893 C LYS A 481 8.671 -15.610 -13.939 1.00 0.00 C ATOM 894 O LYS A 481 9.128 -15.791 -12.811 1.00 0.00 O ATOM 895 CB LYS A 481 10.116 -14.077 -15.334 1.00 0.00 C ATOM 896 CG LYS A 481 10.242 -15.059 -16.502 1.00 0.00 C ATOM 897 CD LYS A 481 11.526 -14.788 -17.296 1.00 0.00 C ATOM 898 CE LYS A 481 12.784 -15.030 -16.463 1.00 0.00 C ATOM 899 NZ LYS A 481 12.933 -16.455 -16.107 1.00 0.00 N ATOM 0 H LYS A 481 9.071 -13.396 -12.712 1.00 0.00 H new ATOM 0 HA LYS A 481 7.965 -14.167 -15.328 1.00 0.00 H new ATOM 0 HB2 LYS A 481 10.209 -13.056 -15.704 1.00 0.00 H new ATOM 0 HB3 LYS A 481 10.935 -14.237 -14.633 1.00 0.00 H new ATOM 0 HG2 LYS A 481 10.249 -16.082 -16.126 1.00 0.00 H new ATOM 0 HG3 LYS A 481 9.376 -14.967 -17.157 1.00 0.00 H new ATOM 0 HD2 LYS A 481 11.548 -15.429 -18.178 1.00 0.00 H new ATOM 0 HD3 LYS A 481 11.521 -13.757 -17.651 1.00 0.00 H new ATOM 0 HE2 LYS A 481 13.660 -14.700 -17.021 1.00 0.00 H new ATOM 0 HE3 LYS A 481 12.741 -14.430 -15.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 481 13.797 -16.583 -15.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 481 12.108 -16.763 -15.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 481 12.999 -17.025 -16.975 1.00 0.00 H new ATOM 913 N ASN A 482 8.065 -16.570 -14.641 1.00 0.00 N ATOM 914 CA ASN A 482 7.897 -17.921 -14.125 1.00 0.00 C ATOM 915 C ASN A 482 8.080 -18.969 -15.230 1.00 0.00 C ATOM 916 O ASN A 482 7.865 -20.159 -15.004 1.00 0.00 O ATOM 917 CB ASN A 482 6.517 -18.028 -13.468 1.00 0.00 C ATOM 918 CG ASN A 482 6.369 -19.263 -12.585 1.00 0.00 C ATOM 919 OD1 ASN A 482 7.352 -19.884 -12.185 1.00 0.00 O ATOM 920 ND2 ASN A 482 5.134 -19.634 -12.270 1.00 0.00 N ATOM 0 H ASN A 482 7.681 -16.430 -15.576 1.00 0.00 H new ATOM 0 HA ASN A 482 8.666 -18.123 -13.379 1.00 0.00 H new ATOM 0 HB2 ASN A 482 6.337 -17.136 -12.868 1.00 0.00 H new ATOM 0 HB3 ASN A 482 5.752 -18.050 -14.244 1.00 0.00 H new ATOM 0 HD21 ASN A 482 4.982 -20.453 -11.682 1.00 0.00 H new ATOM 0 HD22 ASN A 482 4.337 -19.100 -12.616 1.00 0.00 H new ATOM 927 N ARG A 483 8.475 -18.532 -16.430 1.00 0.00 N ATOM 928 CA ARG A 483 8.708 -19.413 -17.567 1.00 0.00 C ATOM 929 C ARG A 483 9.909 -18.929 -18.371 1.00 0.00 C ATOM 930 O ARG A 483 10.348 -17.791 -18.215 1.00 0.00 O ATOM 931 CB ARG A 483 7.471 -19.451 -18.468 1.00 0.00 C ATOM 932 CG ARG A 483 6.278 -20.125 -17.790 1.00 0.00 C ATOM 933 CD ARG A 483 5.114 -20.242 -18.772 1.00 0.00 C ATOM 934 NE ARG A 483 5.475 -21.057 -19.939 1.00 0.00 N ATOM 935 CZ ARG A 483 5.219 -22.363 -20.065 1.00 0.00 C ATOM 936 NH1 ARG A 483 4.577 -23.035 -19.113 1.00 0.00 N ATOM 937 NH2 ARG A 483 5.614 -23.007 -21.160 1.00 0.00 N ATOM 0 H ARG A 483 8.642 -17.547 -16.636 1.00 0.00 H new ATOM 0 HA ARG A 483 8.909 -20.416 -17.192 1.00 0.00 H new ATOM 0 HB2 ARG A 483 7.199 -18.434 -18.750 1.00 0.00 H new ATOM 0 HB3 ARG A 483 7.711 -19.983 -19.388 1.00 0.00 H new ATOM 0 HG2 ARG A 483 6.564 -21.114 -17.433 1.00 0.00 H new ATOM 0 HG3 ARG A 483 5.972 -19.548 -16.918 1.00 0.00 H new ATOM 0 HD2 ARG A 483 4.255 -20.686 -18.269 1.00 0.00 H new ATOM 0 HD3 ARG A 483 4.812 -19.247 -19.101 1.00 0.00 H new ATOM 0 HE ARG A 483 5.956 -20.593 -20.709 1.00 0.00 H new ATOM 0 HH11 ARG A 483 4.270 -22.554 -18.268 1.00 0.00 H new ATOM 0 HH12 ARG A 483 4.391 -24.031 -19.229 1.00 0.00 H new ATOM 0 HH21 ARG A 483 6.109 -22.504 -21.897 1.00 0.00 H new ATOM 0 HH22 ARG A 483 5.422 -24.003 -21.263 1.00 0.00 H new ATOM 951 N ASP A 484 10.437 -19.802 -19.231 1.00 0.00 N ATOM 952 CA ASP A 484 11.545 -19.478 -20.117 1.00 0.00 C ATOM 953 C ASP A 484 11.317 -20.063 -21.515 1.00 0.00 C ATOM 954 O ASP A 484 12.167 -19.917 -22.393 1.00 0.00 O ATOM 955 CB ASP A 484 12.851 -20.002 -19.514 1.00 0.00 C ATOM 956 CG ASP A 484 13.153 -19.343 -18.173 1.00 0.00 C ATOM 957 OD1 ASP A 484 13.623 -18.184 -18.193 1.00 0.00 O ATOM 958 OD2 ASP A 484 12.914 -20.002 -17.133 1.00 0.00 O ATOM 0 H ASP A 484 10.101 -20.760 -19.329 1.00 0.00 H new ATOM 0 HA ASP A 484 11.610 -18.395 -20.221 1.00 0.00 H new ATOM 0 HB2 ASP A 484 12.784 -21.082 -19.383 1.00 0.00 H new ATOM 0 HB3 ASP A 484 13.673 -19.815 -20.205 1.00 0.00 H new ATOM 963 N SER A 485 10.170 -20.722 -21.724 1.00 0.00 N ATOM 964 CA SER A 485 9.825 -21.353 -22.992 1.00 0.00 C ATOM 965 C SER A 485 8.326 -21.250 -23.249 1.00 0.00 C ATOM 966 O SER A 485 7.536 -21.091 -22.317 1.00 0.00 O ATOM 967 CB SER A 485 10.250 -22.825 -22.977 1.00 0.00 C ATOM 968 OG SER A 485 11.643 -22.944 -22.764 1.00 0.00 O ATOM 0 H SER A 485 9.453 -20.830 -21.007 1.00 0.00 H new ATOM 0 HA SER A 485 10.353 -20.835 -23.792 1.00 0.00 H new ATOM 0 HB2 SER A 485 9.711 -23.356 -22.192 1.00 0.00 H new ATOM 0 HB3 SER A 485 9.981 -23.295 -23.923 1.00 0.00 H new ATOM 0 HG SER A 485 11.893 -23.892 -22.756 1.00 0.00 H new ATOM 974 N SER A 486 7.931 -21.345 -24.523 1.00 0.00 N ATOM 975 CA SER A 486 6.535 -21.273 -24.941 1.00 0.00 C ATOM 976 C SER A 486 6.305 -22.083 -26.214 1.00 0.00 C ATOM 977 O SER A 486 5.126 -22.406 -26.483 1.00 0.00 O ATOM 978 CB SER A 486 6.140 -19.810 -25.157 1.00 0.00 C ATOM 979 OG SER A 486 6.972 -19.219 -26.133 1.00 0.00 O ATOM 980 OXT SER A 486 7.307 -22.379 -26.908 1.00 0.00 O ATOM 0 H SER A 486 8.582 -21.475 -25.298 1.00 0.00 H new ATOM 0 HA SER A 486 5.911 -21.701 -24.157 1.00 0.00 H new ATOM 0 HB2 SER A 486 5.098 -19.750 -25.472 1.00 0.00 H new ATOM 0 HB3 SER A 486 6.222 -19.261 -24.219 1.00 0.00 H new ATOM 0 HG SER A 486 6.709 -18.284 -26.264 1.00 0.00 H new TER 986 SER A 486 HETATM 987 ZN ZN A 501 0.582 -5.610 5.370 1.00 0.00 ZN HETATM 988 ZN ZN A 502 2.537 3.613 -2.759 1.00 0.00 ZN